8S6C
Crystal structure of Cyanobacterium TDX16 peroxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-04 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9655 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.667, 72.541, 56.203 |
| Unit cell angles | 90.00, 95.85, 90.00 |
Refinement procedure
| Resolution | 55.910 - 1.740 |
| R-factor | 0.15269 |
| Rwork | 0.151 |
| R-free | 0.18784 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.627 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.910 | 1.780 |
| High resolution limit [Å] | 1.737 | 1.740 |
| Rmerge | 0.112 | |
| Rpim | 0.047 | 0.832 |
| Number of reflections | 42540 | 2171 |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 97.9 | 100 |
| Redundancy | 6.7 | 5.7 |
| CC(1/2) | 0.997 | 0.419 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | PEG6000, MES buffer, Magnesium chloride or Calcium chloride |
